| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:14 UTC |
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| Update Date | 2025-03-25 01:00:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02242930 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12O4 |
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| Molecular Mass | 172.0736 |
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| SMILES | C=C(C)C(=O)OCOC(=O)CC |
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| InChI Key | LKEMRCQZFCKYFO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | carboxylic acid derivatives |
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| Direct Parent | acylals |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetalscarbonyl compoundsdicarboxylic acids and derivativesenoate estershydrocarbon derivativesorganic oxides |
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| Substituents | enoate esteraliphatic acyclic compoundcarbonyl groupacylalalpha,beta-unsaturated carboxylic esterorganic oxideorganic oxygen compoundacetaldicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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